6141-0019 Screening compound: 1-({6-amino-9-[2-(4-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-3-phenoxypropan-2-ol

6141-0019 Screening compound: 1-({6-amino-9-[2-(4-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-3-phenoxypropan-2-ol
6141-0019 Screening compound: 1-({6-amino-9-[2-(4-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6141-0019
1-({6-amino-9-[2-(4-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-3-phenoxypropan-2-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

6141-0019

Molecular Formula

C23H25N5O3S (C23 H25 N5 O3 S)

Compound Name

1-({6-amino-9-[2-(4-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-3-phenoxypropan-2-ol

IUPAC name

1-({6-amino-9-[2-(4-methylphenoxy)ethyl]-9H-purin-8-yl}sulfanyl)-3-phenoxypropan-2-ol

SMILES

Cc(cc1)ccc1OCCn1c(SCC(COc2ccccc2)O)nc2c1ncnc2N

InChI

InChI=1S/C23H25N5O3S/c1-16-7-9-19(10-8-16)30-12-11-28-22-20(21(24)25-15-26-22)27-23(28)32-14-17(29)13-31-18-5-3-2-4-6-18/h2-10,15,17,29H,11-14H2,1H3,(H2,24,25,26)/t17-/m0/s1

InChI Key

RTZIPRMBDHEMKA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03928131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.116

Distribution Coefficient, logD

4.115

Water Solubility, LogSw

-4.20

Polar Surface Area

84.128

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

6141-0019 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6141-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6141-0019?
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What is the minimum amount of 6141-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6141-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6141-0019
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 6141-0019 available by request